(3,4-dimethoxyphenyl)-(1-methylpyrazol-3-yl)methanone

C13H14N2O3 — CID 65195639

IUPAC(3,4-dimethoxyphenyl)-(1-methylpyrazol-3-yl)methanone
SMILESCOc1ccc(C(=O)c2ccn(C)n2)cc1OC
InChIInChI=1S/C13H14N2O3/c1-15-7-6-10(14-15)13(16)9-4-5-11(17-2)12(8-9)18-3/h4-8H,1-3H3
InChIKeyBZRLJBDEFCCQRJ-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.67
Rot. Bonds4

About (3,4-dimethoxyphenyl)-(1-methylpyrazol-3-yl)methanone

(3,4-dimethoxyphenyl)-(1-methylpyrazol-3-yl)methanone (PubChem CID 65195639) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is (3,4-dimethoxyphenyl)-(1-methylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name(3,4-dimethoxyphenyl)-(1-methylpyrazol-3-yl)methanone
PubChem CID65195639
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Name(3,4-dimethoxyphenyl)-(1-methylpyrazol-3-yl)methanone
SMILESCOc1ccc(C(=O)c2ccn(C)n2)cc1OC
InChIInChI=1S/C13H14N2O3/c1-15-7-6-10(14-15)13(16)9-4-5-11(17-2)12(8-9)18-3/h4-8H,1-3H3
InChIKeyBZRLJBDEFCCQRJ-UHFFFAOYSA-N
XLogP1.67
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3,4-diethoxyphenyl)-(1-methylpyrazol-3-yl)methanone
CID 65195255
(2-methoxy-5-methylphenyl)-(1-methylpyrazol-3-yl)methanone
CID 65195748
1-(3,4-dimethoxyphenyl)-2-(1-methylpyrazol-3-yl)ethanone
CID 82869703
(3,4-dimethoxyphenyl)-(6-methyl-2-pyridinyl)methanone
CID 12623269
(E)-1-(1-methylpyrazol-3-yl)-3-(2,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 19565354
(1-methylpyrazol-3-yl)-(2-methylquinolin-6-yl)methanone
CID 81221022
(1-methylpyrazol-3-yl)-[3-(trifluoromethoxy)phenyl]methanone
CID 65195644
4-(4-amino-1-methylpyrazol-3-yl)oxy-3-methoxybenzamide
CID 103079086
N-[4-(3,4-dimethoxyphenyl)thiophen-2-yl]-1-methylpyrazole-3-carboxamide
CID 71818589
(1-methylpyrazol-3-yl)-(3-propylphenyl)methanone
CID 116543263
2-(3,4-dimethoxyphenyl)-2-oxoacetyl chloride
CID 141177100
(3,5-dibromophenyl)-(3,4-dimethoxyphenyl)methanone
CID 107976718

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethoxyphenyl)-(1-methylpyrazol-3-yl)methanone?
The IUPAC name of (3,4-dimethoxyphenyl)-(1-methylpyrazol-3-yl)methanone (CID 65195639) is (3,4-dimethoxyphenyl)-(1-methylpyrazol-3-yl)methanone.
What is the SMILES notation for (3,4-dimethoxyphenyl)-(1-methylpyrazol-3-yl)methanone?
The canonical SMILES for (3,4-dimethoxyphenyl)-(1-methylpyrazol-3-yl)methanone is COc1ccc(C(=O)c2ccn(C)n2)cc1OC.
What is the InChIKey of (3,4-dimethoxyphenyl)-(1-methylpyrazol-3-yl)methanone?
The InChIKey is BZRLJBDEFCCQRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-15-7-6-10(14-15)13(16)9-4-5-11(17-2)12(8-9)18-3/h4-8H,1-3H3.
What are the key properties of (3,4-dimethoxyphenyl)-(1-methylpyrazol-3-yl)methanone?
(3,4-dimethoxyphenyl)-(1-methylpyrazol-3-yl)methanone has a molecular weight of 246.27 g/mol, XLogP of 1.67, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethoxyphenyl)-(1-methylpyrazol-3-yl)methanone is sourced from PubChem (CID 65195639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).